Benzoylcholine Iodide - ≥98%(T) , CAS No.17518-43-3

CAS: 17518-43-3 Cat. No.: B152287 Summenformel: C₁₂H₁₈INO₂ Molekulargewicht: 335.19 PubChem CID: 87143

QUALITÄT & REINHEIT ≥98%(T)

Synonyms

Choline, benzoate | DTXSID30884552 | Benzoylcholine iodide | AS-70782 | SCHEMBL2353854 | (2-Benzoyloxyethyl)trimethylammonium iodide | D88605 | HY-W127666 | NSC19888 | NSC-19888 | NSC 19888 | EINECS 241-517-3 | A881621 | MFCD00038726 | Choline, iodide, be

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

Choline, benzoate | DTXSID30884552 | Benzoylcholine iodide | AS-70782 | SCHEMBL2353854 | (2-Benzoyloxyethyl)trimethylammonium iodide | D88605 | HY-W127666 | NSC19888 | NSC-19888 | NSC 19888 | EINECS 241-517-3 | A881621 | MFCD00038726 | Choline, iodide, be

Spezifikationen & Reinheit

≥98%(T)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(T)

Namen und Kennungen

Pubchem Sid

508816419

Kanonisches Lächeln

C[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[I-]

IUPAC Name

2-benzoyloxyethyl(trimethyl)azanium;iodide

InChIKey

XILQCEGWGBSDSH-UHFFFAOYSA-M

INCHI

1S/C12H18NO2.HI/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1

Isomere SMILES

C[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[I-]

PubChem CID

87143

Molekulargewicht

335.19

Reaxy-Rn

3576708

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Tetraalkylammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organic oxides Organic iodide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic iodide salt - Organic salt - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in hot Water almost transparency
• Empfindlichkeit: Light sensitive ;Hygroscopic
• Molekulargewicht: 335.180 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 335.038 Da
• Monoisotopic Mass: 335.038 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3